1-[2,3,5-Tri-O-Acetyl-.β.-D-Ribofuranosyl]-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C14H18N4O8
IUPAC Name [(2r,3r,4r,5r)-3,4-diacetoxy-5-(3-carbamoyl-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)tetrahydrofuran-2-yl]methyl acetate
Molecular Mass 370.315 g·mol−1
Heat of Formation -1239.8 ± 16.7 kJ·mol−1
Dipole Moment 7.41 ± 1.08 D
Volume 409.48 Å 3
Surface Area 354.93 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-3-carboxamide, 1-(2,3,5-tri-o-acetyl-b-d-ribofuranosyl)-
  • 1h-1,2,4-triazole-3-carboxamide, 1-(2,3,5-tri-o-acetyl-beta-d-ribofuranosyl)-
  • [(2r,3r,4r,5r)-4-acetoxy-2-(acetoxymethyl)-5-(3-carbamoyl-1,2,4-triazol-1-yl)tetrahydrofuran-3-yl] acetate
  • [(2r,3r,4r,5r)-4-acetyloxy-2-(acetyloxymethyl)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)oxolan-3-yl] ethanoate
  • [(2r,3r,4r,5r)-4-acetyloxy-2-(acetyloxymethyl)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-3-yl] acetate
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-2-(acetoxymethyl)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3-tetrahydrofuranyl] ester
  • acetic acid [(2r,3r,4r,5r)-4-acetoxy-2-(acetoxymethyl)-5-(3-carbamoyl-1,2,4-triazol-1-yl)tetrahydrofuran-3-yl] ester
  • ribavirin 2',3',5'-triacetate
CAS Number(s)
  • 40372-03-0
InChIKey XVXXBJKZJDPHAU-ZHSDAYTOSA-N
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